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Crystal structure of a ZIF23-GCN4 chimera bound to DNA

Analyse Crystal structure of a ZIF23-GCN4 chimera bound to DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LLM
Type
protein + DNA
Length
198 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-D(*TP*CP*CP*CP*AP*CP*GP*CP*GP*TP*GP*GP*G)-3'; Chimera of ZIF23-GCN4
UniProt
P08046, P03069
Ligands
ZN
Pockets
1 · best druggability 0.47

Structure

x-ray diffraction · 3 distinct chains · 62% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-D(*TP*CP*CP*CP*AP*CP*GP*CP*GP*TP*GP*GP*G)-3'dna13——
CChimera of ZIF23-GCN4protein8761% helix, 9% strandP08046, P03069
DChimera of ZIF23-GCN4protein8562% helix, 9% strandP08046, P03069

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1660.470.8415empty

Interfaces

6 interfaces between chains.

  • C–D · 1076 Ų buried · 4 hydrogen bonds · protein-protein
  • A–D · 753 Ų buried · 16 hydrogen bonds · protein-nucleic
  • B–C · 704 Ų buried · 16 hydrogen bonds · protein-nucleic
  • A–B · 602 Ų buried · 53 hydrogen bonds · nucleic-nucleic
  • B–D · 487 Ų buried · 13 hydrogen bonds · protein-nucleic

Compared structures

  • 1LLM · Crystal Structure of a Zif23-GCN4 Chimera Bound to DNA · the same entry in another collection · chain D against D, TM-score 1.00
  • P08046 · AlphaFold monomer V2.0 prediction for early growth response protein 1 (P08046) · a predicted model of the same protein · chain C against A, TM-score 0.71
  • P03069 · AlphaFold monomer V2.0 prediction for general control transcription factor GCN4 (P03069) · a predicted model of the same protein · chain C against A, TM-score 0.47

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